SCHEMBL6946228

SCHEMBL6946228

Nc1ccccc1N(O)C(=O)C[n+]1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PABPC1 P11940 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 1/20 0.40
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 2/20 0.35
POLB P06746 1/20 0.35
NSD2 O96028 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6573230 0.98 HSP90AA1 (0.42) KDM4EPABPC1RAB9AHSP90AA1LMNA
SCHEMBL6944670 0.83 RAB9A (0.38) KDM4EPABPC1RAB9AHSP90AA1LMNA
Hydrochloric Acid SCHEMBL6939400 0.82 LMNA (0.38) KDM4EPABPC1RAB9AHSP90AA1LMNA
SCHEMBL6944437 0.80 HSP90AA1 (0.47) KDM4EPABPC1RAB9AHSP90AA1KMT2A
SCHEMBL6573856 0.78 MEN1 (0.47) HSP90AA1LMNAKMT2AMEN1ALDH1A1
SCHEMBL6944450 0.77 LMNA (0.44) KDM4EPABPC1RAB9AHSP90AA1LMNA
SCHEMBL6941691 0.77 POLB (0.44) HSP90AA1LMNAKMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6574934 0.77 MEN1 (0.46) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6941749 0.76 LMNA (0.47) KDM4EPABPC1RAB9AHSP90AA1LMNA
Hydrochloric Acid SCHEMBL6942966 0.76 POLB (0.46) HSP90AA1LMNAKMT2AALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed